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| CAS No.: | 90856-77-2 |
|---|---|
| Name: | 5-Pyrimidinamine, 4,6-dimethyl- (9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H9N3 |
| Molecular Weight: | 123.158 |
| Synonyms: | 4,6-dimethylpyrimidin-5-amine |
| Density: | 1.112 g/cm3 |
| Boiling Point: | 256.3 °C at 760 mmHg |
| Flash Point: | 132.5 °C |
| PSA: | 51.80000 |
| LogP: | 1.25680 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called 5-Pyrimidinamine, 4,6-dimethyl-, and its systematic name is 4,6-dimethylpyrimidin-5-amine. With the molecular formula of C6H9N3, its molecular weight is 123.16. The CAS registry number of this chemical is 90856-77-2. Additionally, its product categories are Pyrimidine; APIs & Intermediate.
Other characteristics of the 5-Pyrimidinamine, 4,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 35.27; (8)ACD/KOC (pH 7.4): 37.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 36.32 cm3; (15)Molar Volume: 110.7 cm3; (16)Polarizability: 14.39×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 49.38 kJ/mol; (21)Boiling Point: 256.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0155 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1ncnc(C)c1N
2.InChI: InChI=1/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3
3.InChIKey: NBUHTTJGQKIBMR-UHFFFAOYAX